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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,5-anhydro-D-fructose reductase' and Ligand = 'BDBM50119581'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
1,5-anhydro-D-fructose reductase


(Homo sapiens (Human))
BDBM50119581
PNG
(CHEMBL3617742 | US9718813, Compound 23)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccnc2c1
Show InChI InChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-13-15-32(17-19)27(34)23-10-11-23)26(31-29)22-8-5-20(6-9-22)24-12-7-21-4-3-14-30-25(21)16-24/h3-9,12,14,16,19,23H,10-11,13,15,17-18H2,1-2H3/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 56.2n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair